Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01792860
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BHB | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.73 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.8 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1TSD | 0.79 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1SYN | 0.79 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 2VF0 | 0.79 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B,C,D,E | 1SEJ | 0.79 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B,C,D | 1F28 | 0.79 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1TLC | 0.79 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
BW2 | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | A,B,C,D | 1PL0 | 0.82 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.85 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.85 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.83 | |
DHF | DIHYDROFOLIC ACID | A | 1LCB | 0.83 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.83 | |
DHF | DIHYDROFOLIC ACID | A | 2RK1 | 0.83 | |
DHF | DIHYDROFOLIC ACID | A | 1RF7 | 0.83 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.83 | |
DHF | DIHYDROFOLIC ACID | A | 1TYS | 0.83 | |
4HF | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8- HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN- 6-YL]ETHYL}-2-THIENYL)CARBONYL]- L-GLUTAMIC ACID | A,B,C | 2FMN | 0.72 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.85 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.85 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.85 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.85 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.85 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.87 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.87 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1EQB | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1JOM | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1PJ7 | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1DFO | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 2VMY | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 1JOL | 0.84 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1WOP | 0.84 | |
CST | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A,B | 1BCS | 0.71 | |
CST | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A | 1SGC | 0.71 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.74 | |
APQ | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.71 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.75 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.75 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.75 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.75 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.74 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.74 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.74 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.74 | |
FOL | FOLIC ACID | A | 4CD2 | 0.74 | |
FOL | FOLIC ACID | A | 1RX7 | 0.74 | |
FOL | FOLIC ACID | A | 1RX2 | 0.74 | |
FOL | FOLIC ACID | A | 1RX8 | 0.74 | |
FOL | FOLIC ACID | A | 1RA2 | 0.74 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.74 | |
FOL | FOLIC ACID | A | 7DFR | 0.74 | |
FOL | FOLIC ACID | A | 1VIF | 0.74 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.74 | |
FOL | FOLIC ACID | A | 1CD2 | 0.74 | |
FOL | FOLIC ACID | A | 2CD2 | 0.74 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.74 | |
FOL | FOLIC ACID | A | 1DRF | 0.74 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.74 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.74 | |
FOL | FOLIC ACID | A | 1RA8 | 0.74 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX6 | 0.8 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX5 | 0.8 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX4 | 0.8 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A,B | 1DYJ | 0.8 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RC4 | 0.8 | |
D16 | TOMUDEX | A,B | 1I00 | 0.79 | |
D16 | TOMUDEX | A,B | 2KCE | 0.79 | |
D16 | TOMUDEX | A,B,C,D | 2TSR | 0.79 | |
D16 | TOMUDEX | A,B,C,D | 1HVY | 0.79 | |
D16 | TOMUDEX | A,B | 1RTS | 0.79 |